Basic information
- Standard SMILES
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2cc(C#N)ccc2C)s1- InChIKey
QATJGMSYZWXQQR-UHFFFAOYSA-N- Molecular formula
- C24H21N3O2S
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.13544809
Names & identifiers
- Preferred name
- 5-(5-Cyano-2-methylphenyl)-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)thiophene-2-carboxamide
- IUPAC
- 5-(5-cyano-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
Names & synonyms
SCHEMBL1752388QATJGMSYZWXQQR-UHFFFAOYSA-N5-(5-Cyano-2-methylphenyl)-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)thiophene-2-carboxamide
Database identifiers
- PubChem CID
- 67149011
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 700
Related reactions
3 records
Compound notes
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